E216-0327 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-cyclopentylpiperidine-4-carboxamide

E216-0327 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-cyclopentylpiperidine-4-carboxamide
E216-0327 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-cyclopentylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-0327
1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-cyclopentylpiperidine-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E216-0327

Molecular Formula

C21H28ClN3O3 (C21 H28 ClN3 O3)

Compound Name

1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-cyclopentylpiperidine-4-carboxamide

IUPAC name

1-(6-chloro-2-methyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)-N-cyclopentylpiperidine-4-carboxamide

SMILES

CC(C1)Oc(ccc(Cl)c2)c2N1C(N(CC1)CCC1C(NC1CCCC1)=O)=O

InChI

InChI=1S/C21H28ClN3O3/c1-14-13-25(18-12-16(22)6-7-19(18)28-14)21(27)24-10-8-15(9-11-24)20(26)23-17-4-2-3-5-17/h6-7,12,14-15,17H,2-5,8-11,13H2,1H3,(H,23,26)/t14-/m1/s1

InChI Key

MKOCSUUWEUIBCU-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14847681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.93

Polar Surface Area

48.910

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with E216-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-0327?
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What is the minimum amount of E216-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-0327
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E216-0327 available by request